(1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10A,12A-Trimethyl-1,2,3,3A,3B,4,5,5A,6,7,10,10A,10B,11,12,12A-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-f]Indazol-1-Ol
[CAS# 106254-15-3]

Identification

• Name: (1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10A,12A-Trimethyl-1,2,3,3A,3B,4,5,5A,6,7,10,10A,10B,11,12,12A-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-f]Indazol-1-Ol
• Synonyms: 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-Hexadecahydro-1,10a,12a-trimethylcyclopenta(7,8)-phenanthro(2,3-c)pyrazol-1-ol
• Molecular Formula: C₂₁H₃₂N₂O
• Molecular Weight: 328.49
• CAS Registry Number: 106254-15-3
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C
• InChI: 1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1
• InChIKey: LKAJKIOFIWVMDJ-IYRCEVNGSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 490.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 250.7±28.7°C (Cal.)
• Refractive index: 1.573 (Cal.)

References

• (1): Graham J. Trout and Rymantas Kazlauskas. Sports drug testing – an analyst's perspective, Chem. Soc. Rev., 2004, 33, 1.